Geometry & MOs

Info

ID:	155214
PubChem CID:	56322737
Reduced:	FN3O4C25H26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	452.13184
ΔH_f, kcal/mol:	-112.24
Dipole, Da:	9.38
IP(EA), eV:	-9.23(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)OCC3CCCO3)C4=NC(=NO4)C5=CC(=CC=C5)F

DOS

IR

Vibrations